KDy3F10
KDy3F10 is a thermodynamically stable, insulating fluoride compound composed of potassium, dysprosium, and fluorine.
About KDy3F10
KDy3F10 is a complex fluoride compound that functions as a wide-band-gap insulator. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural arrangement that is favorable for long-term material applications.
This compound is characterized by its distinct structural diversity, with multiple reported configurations across various databases. Its insulating nature and stable composition make it a subject of interest for researchers investigating advanced inorganic fluoride systems.
Key Properties
Cross-validated computational properties for KDy3F10, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for KDy3F10, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 6.99 | 0.0000 | -6.731 | 6.24 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.02 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.21 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.13 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where KDy3F10 is used.
Frequently Asked Questions
Common questions about KDy3F10, answered from cross-validated data.
What is KDy3F10?
KDy3F10 is a thermodynamically stable, insulating fluoride compound composed of potassium, dysprosium, and fluorine.
What is KDy3F10 used for?
What is the band gap of KDy3F10?
Is KDy3F10 a metal, semiconductor, or insulator?
Is KDy3F10 thermodynamically stable?
What is the crystal structure of KDy3F10?
What is the density of KDy3F10?
How many polymorphs of KDy3F10 are known?
What elements does KDy3F10 contain?
Where does the data for KDy3F10 come from?
How It Compares
As a unique fluoride phase, KDy3F10 serves as a foundational example of complex rare-earth potassium fluoride stability. While it currently stands as an individual entry in its class, its thermodynamic favorability positions it as a benchmark for comparing the structural evolution of similar ternary rare-earth fluoride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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